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1236699-92-5

1236699-92-5 | 4-Pyridinecarboxamide, N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]-

CAS No: 1236699-92-5 Catalog No: AG000KXC MDL No:MFCD16660676

Product Description

Catalog Number:
AG000KXC
Chemical Name:
4-Pyridinecarboxamide, N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]-
CAS Number:
1236699-92-5
Molecular Formula:
C15H15FIN3O3
Molecular Weight:
431.2008
MDL Number:
MFCD16660676
IUPAC Name:
N-[(2S)-2,3-dihydroxypropyl]-3-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
InChI:
InChI=1S/C15H15FIN3O3/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21/h1-5,7,10,20-22H,6,8H2,(H,19,23)/t10-/m0/s1
InChI Key:
VIUAUNHCRHHYNE-JTQLQIEISA-N
SMILES:
OC[C@H](CNC(=O)c1ccncc1Nc1ccc(cc1F)I)O
UNII:
6ON9RK82AL

Properties

Complexity:
391  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
431.014g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
431.206g/mol
Monoisotopic Mass:
431.014g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Literature

Title Journal
MEK inhibitors as a chemotherapeutic intervention in multiple myeloma. Blood cancer journal 20130301
MEK1/2 inhibitors AS703026 and AZD6244 may be potential therapies for KRAS mutated colorectal cancer that is resistant to EGFR monoclonal antibody therapy. Cancer research 20110115
Blockade of the MEK/ERK signalling cascade by AS703026, a novel selective MEK1/2 inhibitor, induces pleiotropic anti-myeloma activity in vitro and in vivo. British journal of haematology 20100501

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